A computational investigation of the OZONOLYSIS of terpinolene has been fulfilled by using density functional (DFT) method. To specify primary intermediates’ formation from the OZONOLYSIS of terpinolene, quantum chemical calculations were done. Using B3LYP method with 6-311++G(d,p) basis set, the structures were optimized for all suggested reaction mechanisms. The primary reaction steps of terpinolene OZONOLYSIS were studied focusing on the primary ozonide formation and its fragmentation into Criegee intermediates and carbonyl compounds. Two distinct mechanistic pathways were delved into for the OZONOLYSIS of terpinolene that results in ketone compounds. The activation energy formation of the primary ozonide intermediate in pathways 1 and 2 are 37.88 & 46.29 kcal mol-1, respectively. The results would increase the conception of the reaction mechanism of alkene OZONOLYSIS and supply a vision into the realization the mechanism of transformation of this pollutant into non-toxic structures.

Bioethanol production from agricultural residues is one of the promising methods. Pretreatment is the most important step in this type of bioethanol production. In this study, the saccharification percentage of sugarcane bagasse was investigated after two types of pretreatments including ozone steaming and microwave. Microwave pretreatment was studied with two factors of microwave radiation (170, 450, and 850 W) and microwave duration (2, 6, and 10 min). The OZONOLYSIS (ozone steaming) pretreatment was surveyed with two factors of moisture content of bagasse (30, 40, and 50%) and OZONOLYSIS time (1.5, 2.5, 3.5, and 4.5 hr). After hydrolysis, the Saccharification percentage of sugarcane bagasse increased to 57.2% and 67.06% with microwave and OZONOLYSIS pretreatments, respectively; compare to 20.85% in non-ozonated bagasse. It can be concluded that the OZONOLYSIS is the most effective pretreatment regarding to saccharification percentage of sugarcane bagasse.

The sonolysis combined with OZONOLYSIS degradation of dinitrobotyle phenol in aqueous solution, by using nano particles of titanium dioxide as catalyst.Test accomplished in ultra-sonic machine in 60 khz frequency and with injecting ozone gas in 3 mg/I. Combinational processes and increasing amounts of oxide added, results substantial damage. Under optimum conditions (0.2 g/l of Titanium dioxide Nan oparticles) destruction efficiency was 99.89 percent. The kinetic studies revealed that the sonolysis combined with OZONOLYSIS degradation of DNBP followed pseudo- first-order kinetics with respect to dinitrobotyle phenol (DNBP). These experiments showed that the treatment of Copley Svnvlyz with ozone in the presence of titanium dioxide is a promising technology for treating this type of pollution.

Wheat straw is widely used for animal feed and biorefinery to sugar production. However, cellulose, which is the major source of sugar, is protected by lignin. Ozone is a powerful oxidizer that can deconstruct lignin and makes cellulose accessible to enzymatic digestion. The aim of this study is the delignification of wheat straw using OZONOLYSIS technology as a green, environmentally friendly, and energy-efficient process. Modeling and optimization were performed by response surface methodology and the effects of five factors including ozone production rate (1, 2, and 3 g/h), reaction time (15, 30, and 45 min), the flow rate of ozone/oxygen (0, 3, and 6 L/min), moisture content (100, 200, and 300% w/w) and urea (0, 1.5, and 3% w/w) were investigated. The results of this study showed that the highest delignification (50%) was observed in the highest levels of ozone amount, time, flow rate, urea, and the lowest level of moisture content. The flow rate and moisture content factors were the most contributing factors in the delignification process with 36 and 20%, respectively. Under optimal conditions, 49.8% of delignification was obtained at an ozone amount (3 g/h), time (45 min), flow rate (5.7 L/min), moisture content (100% w/w), and urea amount (3% w/w) with a desirability index of 0.99. The response surface method creates a desirable fitness between the experimental and predicted responses with R2=0.90. The results showed that the OZONOLYSIS process using the proposed factors can be used to delignification of wheat straw.